GAMESS Installation Instructions for IRIX

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July 4, 2008

GAMESS Installation Instructions for IRIX

Obtain a copy of the GAMESS source code
Visit the GAMESS homepage and request a copy of the source code

Download the source code file, gamess_tar.Z, as directed in the email message that you receive

Verify that the following packages have been installed on the IRIX workstation:

MIPSpro Fortran 77
MIPSpro C

Uncompress the archive
% su
# cd /usr/local
# cp /download_dir/gamess_tar.Z /usr/local
# gunzip gamess_tar.Z
# tar xvf gamess_tar
# chown -R root:sys gamess
# chmod -R 755 gamess
# chmod -R g-s gamess

Update the comp, compall, lked, and runall scripts.
# cd /usr/local/gamess
# vi scriptname
Change the line

chdir /u1/mike/gamess

chdir /usr/local/gamess

and (except in 'runall' script, where no reference exists)

set TARGET=ibm

set TARGET=sgi

Update the rungms script
Edit the following lines to read as follows

set TARGET=sockets

and

set SCR=/tmp

and later in the file

if ($os == IRIX) set GMSPATH=/usr/local/gamess

Edit and compile the 'Activate' program
# cd /usr/local/gamess/tools
# cp actvte.code actvte.f
# vi actvte.f

For typical Unix systems, simply replace all cards beginning with '*UNX' in the first 4 columns with 4 blanks. See comments in the file for help and more details.

# f77 -o actvte.x actvte.f

Compile and link GAMESS
# cd /usr/local/gamess
# /bin/csh (if not already in csh or tcsh)
# setenv PATH .:${PATH} (necessary because /bin/comp may also be in path)
# compall >& compall.log
# lked gamess 00 >& lked.log

Test GAMESS
% cd ~
% mkdir scr
% mkdir gamess
% cp -p /usr/local/gamess/tests/exam01.inp ~/gamess
% cd ~/gamess
% /usr/local/gamess/rungms exam01 > e01.log

If errors occur while testing, delete all scratch and result files to permit further tests
% rm -f ~/scr/exam01*
% rm -f /tmp/exam01*
% rm -f ~/gamess/exam01.log